4,5-Dihydro-4-phenyl-5-thioxo-1H-tetrazole-1-propanenitrile
Basic information
- CAS
1437-68-9- Standard SMILES
N#CCCn1nnn(-c2ccccc2)c1=S- InChIKey
FDZPVIXVHGRKPM-UHFFFAOYSA-N- Molecular formula
- C10H9N5S
- Average molar mass
- 231.28 g/mol
- Monoisotopic mass
- 231.05786648
Names & identifiers
- Preferred name
- 4,5-Dihydro-4-phenyl-5-thioxo-1H-tetrazole-1-propanenitrile
- IUPAC
- 3-(4-phenyl-5-sulfanylidenetetrazol-1-yl)propanenitrile
Names & synonyms
1437-68-94,5-Dihydro-4-phenyl-5-thioxo-1H-tetrazole-1-propanenitrileRefChem:285424FDZPVIXVHGRKPM-UHFFFAOYSA-NDTXSID0011903551H-Tetrazole-1-propanenitrile, 4,5-dihydro-4-phenyl-5-thioxo-3-(4-phenyl-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl)propanenitrile3-(4-Phenyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)propanenitrile
Database identifiers
- CAS
1437-68-9- PubChem CID
- 3472048
- DTXSID
DTXSID001190355
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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